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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates

Shugo Nakamura1, Daisuke Kyono, Mitsunori Ikeguchi

  • 1Department of Biotechnology, The University of Tokyo, Yayoi 1-1-1, Bunkyo-ku, Tokyo 113-8657, Japan. shugo@bi.a.u-tokyo.ac.jp

Journal of Computational Chemistry
|March 23, 2002
PubMed

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